sodium (4Z)-5-methyl-4-[(4-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: sodium (4Z)-5-methyl-4-[(4-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-2-phenyl-pyrazol-3-one Openeye Name: sodium (4Z)-5-methyl-4-[(4-oxidoperoxysulfanylphenyl)hydrazono]-2-phenyl-pyrazol-3-one CAS Name: sodium 4-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium (4Z)-5-methyl-4-[(4-oxidoperoxysulfanylphenyl)hydrazinylidene]-2-phenylpyrazol-3-one Traditional Name: sodium (4Z)-5-methyl-4-[[4-(oxidoperoxythio)phenyl]hydrazono]-2-phenyl-2-pyrazolin-3-one Formula: C16H13N4NaO4S MolecularWeight: 380.35359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)SOO[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)SOO[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H14N4O4S.Na/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25-24-23-22;/h2-10,17,22H,1H3;/q;+1/p-1/b18-15-;